MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005919

METHYL ACETOACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005919
RECORD_TITLE: METHYL ACETOACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL ACETOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₃
CH$EXACT_MASS: 116.04734
CH$SMILES: COC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
CH$LINK: INCHIKEY WRQNANDWMGAFTP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026716

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9100000000-65b70a114483f92cc1f4
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 1.17 12
  29 2.34 23
  31 1.95 20
  42 3.9 39
  43 99.99 999
  44 2.54 25
  57 2.53 25
  59 10.15 102
  69 5.07 51
  74 12.1 121
  84 2.93 29
  85 12.68 127
  86 1.76 18
  88 3.9 39
  101 6.83 68
  116 14.83 148
  117 1.17 12
//